N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C19H15ClFN3O3 — CID 10293604

IUPACN-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cnc(-c2c(F)cccc2Cl)n1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H15ClFN3O3/c1-11-10-22-18(17-13(20)3-2-4-14(17)21)24(11)23-19(25)12-5-6-15-16(9-12)27-8-7-26-15/h2-6,9-10H,7-8H2,1H3,(H,23,25)
InChIKeyUQIAKPZNOSDRGI-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.81
Rot. Bonds3

About N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 10293604) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID10293604
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC NameN-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cnc(-c2c(F)cccc2Cl)n1NC(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H15ClFN3O3/c1-11-10-22-18(17-13(20)3-2-4-14(17)21)24(11)23-19(25)12-5-6-15-16(9-12)27-8-7-26-15/h2-6,9-10H,7-8H2,1H3,(H,23,25)
InChIKeyUQIAKPZNOSDRGI-UHFFFAOYSA-N
XLogP3.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-Chlorophenyl)-4-Methyl-5-(1-Methylethyl)-1h-Imidazol-1-Yl]-5-Methyl-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide
CID 10180805
N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-1,3-benzodioxole-5-carboxamide
CID 9969599
N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-1,3-benzodioxole-5-carboxamide
CID 10133959
5-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10273444
N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide
CID 10273599
N-[2-(2-chloro-4-fluorophenyl)-5-methylimidazol-1-yl]-3,4,5-trimethoxybenzamide
CID 10273600
4-[(2-chlorophenyl)methoxy]-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxybenzamide
CID 55454041
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3,4-diethoxybenzamide
CID 24789133
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71025332
N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 9439811
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10181717
N-[2-(2,5-dimethylphenyl)-5-methylimidazol-1-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10199494

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 10293604) is N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cnc(-c2c(F)cccc2Cl)n1NC(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is UQIAKPZNOSDRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-11-10-22-18(17-13(20)3-2-4-14(17)21)24(11)23-19(25)12-5-6-15-16(9-12)27-8-7-26-15/h2-6,9-10H,7-8H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 387.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6-fluorophenyl)-5-methylimidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 10293604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).